CAS No 126-18-1 , Spirostan-3-ol, (3b,5b,25R)-

Name: Spirostan-3-ol, (3b,5b,25R)-
Synonyms: Smilagenin(6CI,7CI);5b-Spirostan-3b-ol, (25R)- (8CI); (25R)-5b-Spirostan-3b-ol;Cogane; Esmilagenin; NSC 93747; Isosarsasapogenin; PYM 50028;Spirostan-3-ol, (3b,5b,25R)-; Spiro[8H-naphth[2',1':4,5]indeno[2,1-b]furan-8,2'-[2H]pyran],spirostan-3-ol deriv.;
CAS Registry Number:126-18-1
Melting Point: ~185 °C
Flash Point: 266.2°C
Boiling Point: 516.6°Cat760mmHg
Density: 1.11g/cm³
Refractive index: 1.552
Safety Statements: WGK Germany 3 F 10
Flash Point: 266.2°C
EINECS: 204-775-8
Molecular Weight: 416.64
InChI: InChI=1/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16?,17-,18+,19-,20?,21?,22?,23-,24-,25-,26-,27+/m0/s1
Molecular Formula: C27H44O3
Molecular Structure:

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References of Spirostan-3-ol, (3b,5b,25R)-

Title: Smilagenin
CAS Registry Number: 126-18-1
CAS Name: (25R)-Spirostan-3b-ol
Synonyms: isosarsasapogenin
Molecular Formula: C27H44O3
Molecular Weight: 416.64
Percent Composition: C 77.83%, H 10.64%, O 11.52%
Literature References: Steroid sapogenin from Smilax ornata Hooker, Liliaceae (Sarsaparilla): Ashew et al., J. Chem. Soc. 1936, 1399; from Agave lecheguilla Tou., Amaryllidaceae: Nord, US 2897192 (1959). C25 isomer of sarsasapogenin: Scheer et al., J. Am. Chem. Soc. 77, 641 (1955). Obtained by acid isomerization of sarsasapogenin: Marker, Rohrmann, ibid. 61, 846 (1939); Wall et al., ibid. 77, 3086 (1955). For structure and stereochemistry see Sarsasapogenin.
Properties: Silky needles from acetone, mp 185°. [a]D25 -69° (c = 0.5 in chloroform). Absorption spectrum: Smith, Eddy, Anal. Chem. 31, 1539 (1959).
Melting point: mp 185°
Optical Rotation: [a]D25 -69° (c = 0.5 in chloroform)

Derivative Type: Acetate
Molecular Formula: C29H46O4
Molecular Weight: 458.67
Percent Composition: C 75.94%, H 10.11%, O 13.95%
Properties: Needles from methanol, mp 152°.
Melting point: mp 152°

Use: In making compds of the pregnane series.